SCHEMBL7384691

SCHEMBL7384691

CCOC(=O)c1c(CCc2ccc(OC)cc2)oc2ccc(C#N)cc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
MAPT P10636 7/20 0.54
TP53 P04637 2/20 0.54
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 7/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RCE1 Q9Y256 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7391342 0.90 MAPT (0.54) KDM4EMAPTTP53ALDH1A1HPGD
SCHEMBL7392563 0.88 MTNR1A (0.47) KDM4EMAPTTP53ALDH1A1GAA
SCHEMBL7388946 0.88 ANO1 (0.45) MAPT
SCHEMBL7390820 0.85 MAPT (0.60) KDM4EMAPTTP53PTGS2ALDH1A1
SCHEMBL8469654 0.84 MTNR1A (0.45) KDM4EMAPTTP53PTGS2ALDH1A1
SCHEMBL7392060 0.80 MTNR1A (0.48) MAPT
SCHEMBL8469647 0.79 MTNR1A (0.41) MAPTTP53
SCHEMBL7389058 0.78 GPR119 (0.50) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL5227728 0.78 SLC22A12 (0.54) MAPT
SCHEMBL5225465 0.76 SLC22A12 (0.52) KDM4EMAPTALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed